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Basic information
- CAS
5698-99-7- Standard SMILES
O=C(O)c1ccc2c3c(ccc(C(=O)O)c13)CC2- InChIKey
MCTYNCQPNKIMCL-UHFFFAOYSA-N- Molecular formula
- C14H10O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.0579088
Names & identifiers
- Preferred name
- 5,6-Acenaphthenedicarboxylic acid
- IUPAC
- 1,2-dihydroacenaphthylene-5,6-dicarboxylic acid
- English name
- acenaphthene-5,6-dicarboxic acid
- Molecular formula
- C14H10O4
- Molecular weight
- 242.2268
Names & synonyms
5698-99-71,2-dihydroacenaphthylene-5,6-dicarboxylic acid5,6-Acenaphthenedicarboxylic acidAcenaphthene-5,6-dicarboxic acidP379ZHZ4LCNSC-1099311,2-dihydro-5,6-acenaphthylenedicarboxylic acidEINECS 227-178-4UNII-P379ZHZ4LC5,6-Acenaphthylenedicarboxylicacid, 1,2-dihydro-5,6-acenaphthendi-carboxylicSCHEMBL7824284
Show more names
Acenaphthene-5,6-dicarboxylic acid
DTXSID70205585MCTYNCQPNKIMCL-UHFFFAOYSA-NNSC109931AKOS021983306NSC 109931DS-005614NS00033624EN300-155391
Database identifiers
- CAS
5698-99-7- PubChem CID
- 97270
- DTXSID
DTXSID70205585- UNII
- P379ZHZ4LC
- EC Number
- 227-178-4
- Nikkaji
- J225.100K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 290 · 290-296 °C
- Boiling point
- 532.1 · 532.1±50.0 °C(Predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- pka
- 2.66 · 2.66±0.20(Predicted)
- FDA UNII
- 379 ZHZ4LC · P379ZHZ4LC
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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